Thermal, spectroscopic, ADMET and toxicological studies of synthesized β-Amino carbonyl compounds

Abstract

The β-amino carbonyl compound (C1), its–chloro (C2) and -methoxy (C3) derivatives were synthesized in this Mannich reaction type synthesis, wherein Guanine Hydrochloride was used as a catalyst. CHN elemental analyzer, UV-Vis, MS, FT-IR and NMR techniques, were used to characterize the compounds. The main objective of the study was to investigate the thermal behavior of these compounds, which was done by TGA/DTA/DTG analysis. The compounds were also tested for their toxicity and “drug-likeliness” as β-amino carbonyl compounds are generally well suited for pharmacological studies. Target compounds were achieved with 80-85% yield. All the compounds were decomposed at a temperature above 600 ­oC, and showed non-spontaneous and endothermic reactions. The compounds did not show any abnormal behavior at higher temperature ranges. All the compounds were found to be less toxic and results were affirmative for their drug-likeliness based on Lipinski’s rule of five. Hence, the nanostructures of these compounds, combined with heat stability, non-toxicity and drug-likeliness pave the way for their clinical assessment.